smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000040454370	1073210630	/nfs/dbraw/zinc/21/06/30/1073210630.db2.gz	OTTHUQAYARCXLP-KXQOOQHDSA-N	0	3	686.809	6.700	20	5	in-man	KKBDHN
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCc2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000040454366	1073210576	/nfs/dbraw/zinc/21/05/76/1073210576.db2.gz	OTTHUQAYARCXLP-LHEWISCISA-N	0	3	686.809	6.700	20	5	in-man	KKBDHN